5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1-methyltetrazole

C13H11FN4S — CID 3755869

IUPAC5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1-methyltetrazole
SMILESCn1nnnc1SCc1ccc(F)c2ccccc12
InChIInChI=1S/C13H11FN4S/c1-18-13(15-16-17-18)19-8-9-6-7-12(14)11-5-3-2-4-10(9)11/h2-7H,8H2,1H3
InChIKeyIFQBZGWSNRIZTP-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.79
Rot. Bonds3

About 5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1-methyltetrazole

5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1-methyltetrazole (PubChem CID 3755869) has the molecular formula C13H11FN4S and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1-methyltetrazole.

Molecular Properties

Compound Name5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1-methyltetrazole
PubChem CID3755869
Molecular FormulaC13H11FN4S
Molecular Weight274.32 g/mol
Exact Mass274.07
IUPAC Name5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1-methyltetrazole
SMILESCn1nnnc1SCc1ccc(F)c2ccccc12
InChIInChI=1S/C13H11FN4S/c1-18-13(15-16-17-18)19-8-9-6-7-12(14)11-5-3-2-4-10(9)11/h2-7H,8H2,1H3
InChIKeyIFQBZGWSNRIZTP-UHFFFAOYSA-N
XLogP2.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-5-(naphthylmethylthio)-1,2,3,4-tetraazole
CID 2630172
5-[(4-fluorobenzyl)sulfanyl]-1-methyl-1H-tetrazole
CID 2266188
Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl-
CID 581253
3-[(4-Fluoronaphthyl)methylthio]-4-methyl-1,2,4-triazole
CID 777683
5-(2-Fluoro-benzylsulfanyl)-1-methyl-1H-tetrazole
CID 656320
5-(Diphenylmethylthio)-1-methyl-1,2,3,4-tetraazole
CID 673947
4-Methyl-3-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole
CID 701885
1-benzyl-1H-tetraazol-5-yl (4-fluoro-1-naphthyl)methyl sulfide
CID 3732698
5-[(3-fluorobenzyl)sulfanyl]-1-methyl-1H-tetrazole
CID 3493418
1-methyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-tetrazole
CID 6466473
4-Fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzonitrile
CID 41867509
5-[1-(4-Fluorophenyl)ethylsulfanyl]-1-methyltetrazole
CID 45792907

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1-methyltetrazole?
The IUPAC name of 5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1-methyltetrazole (CID 3755869) is 5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1-methyltetrazole.
What is the SMILES notation for 5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1-methyltetrazole?
The canonical SMILES for 5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1-methyltetrazole is Cn1nnnc1SCc1ccc(F)c2ccccc12.
What is the InChIKey of 5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1-methyltetrazole?
The InChIKey is IFQBZGWSNRIZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4S/c1-18-13(15-16-17-18)19-8-9-6-7-12(14)11-5-3-2-4-10(9)11/h2-7H,8H2,1H3.
What are the key properties of 5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1-methyltetrazole?
5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1-methyltetrazole has a molecular weight of 274.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1-methyltetrazole is sourced from PubChem (CID 3755869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).